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4EIL

Crystal Structure of the loop truncated Toxoplasma gondii TS-DHFR

Functional Information from GO Data
ChainGOidnamespacecontents
A0004146molecular_functiondihydrofolate reductase activity
A0004799molecular_functionthymidylate synthase activity
A0005739cellular_componentmitochondrion
A0005829cellular_componentcytosol
A0006231biological_processdTMP biosynthetic process
A0006730biological_processone-carbon metabolic process
A0008168molecular_functionmethyltransferase activity
A0009165biological_processnucleotide biosynthetic process
A0016491molecular_functionoxidoreductase activity
A0016741molecular_functiontransferase activity, transferring one-carbon groups
A0032259biological_processmethylation
A0046654biological_processtetrahydrofolate biosynthetic process
B0004146molecular_functiondihydrofolate reductase activity
B0004799molecular_functionthymidylate synthase activity
B0005739cellular_componentmitochondrion
B0005829cellular_componentcytosol
B0006231biological_processdTMP biosynthetic process
B0006730biological_processone-carbon metabolic process
B0008168molecular_functionmethyltransferase activity
B0009165biological_processnucleotide biosynthetic process
B0016491molecular_functionoxidoreductase activity
B0016741molecular_functiontransferase activity, transferring one-carbon groups
B0032259biological_processmethylation
B0046654biological_processtetrahydrofolate biosynthetic process
C0004146molecular_functiondihydrofolate reductase activity
C0004799molecular_functionthymidylate synthase activity
C0005739cellular_componentmitochondrion
C0005829cellular_componentcytosol
C0006231biological_processdTMP biosynthetic process
C0006730biological_processone-carbon metabolic process
C0008168molecular_functionmethyltransferase activity
C0009165biological_processnucleotide biosynthetic process
C0016491molecular_functionoxidoreductase activity
C0016741molecular_functiontransferase activity, transferring one-carbon groups
C0032259biological_processmethylation
C0046654biological_processtetrahydrofolate biosynthetic process
D0004146molecular_functiondihydrofolate reductase activity
D0004799molecular_functionthymidylate synthase activity
D0005739cellular_componentmitochondrion
D0005829cellular_componentcytosol
D0006231biological_processdTMP biosynthetic process
D0006730biological_processone-carbon metabolic process
D0008168molecular_functionmethyltransferase activity
D0009165biological_processnucleotide biosynthetic process
D0016491molecular_functionoxidoreductase activity
D0016741molecular_functiontransferase activity, transferring one-carbon groups
D0032259biological_processmethylation
D0046654biological_processtetrahydrofolate biosynthetic process
E0004146molecular_functiondihydrofolate reductase activity
E0004799molecular_functionthymidylate synthase activity
E0005739cellular_componentmitochondrion
E0005829cellular_componentcytosol
E0006231biological_processdTMP biosynthetic process
E0006730biological_processone-carbon metabolic process
E0008168molecular_functionmethyltransferase activity
E0009165biological_processnucleotide biosynthetic process
E0016491molecular_functionoxidoreductase activity
E0016741molecular_functiontransferase activity, transferring one-carbon groups
E0032259biological_processmethylation
E0046654biological_processtetrahydrofolate biosynthetic process
F0004146molecular_functiondihydrofolate reductase activity
F0004799molecular_functionthymidylate synthase activity
F0005739cellular_componentmitochondrion
F0005829cellular_componentcytosol
F0006231biological_processdTMP biosynthetic process
F0006730biological_processone-carbon metabolic process
F0008168molecular_functionmethyltransferase activity
F0009165biological_processnucleotide biosynthetic process
F0016491molecular_functionoxidoreductase activity
F0016741molecular_functiontransferase activity, transferring one-carbon groups
F0032259biological_processmethylation
F0046654biological_processtetrahydrofolate biosynthetic process
G0004146molecular_functiondihydrofolate reductase activity
G0004799molecular_functionthymidylate synthase activity
G0005739cellular_componentmitochondrion
G0005829cellular_componentcytosol
G0006231biological_processdTMP biosynthetic process
G0006730biological_processone-carbon metabolic process
G0008168molecular_functionmethyltransferase activity
G0009165biological_processnucleotide biosynthetic process
G0016491molecular_functionoxidoreductase activity
G0016741molecular_functiontransferase activity, transferring one-carbon groups
G0032259biological_processmethylation
G0046654biological_processtetrahydrofolate biosynthetic process
H0004146molecular_functiondihydrofolate reductase activity
H0004799molecular_functionthymidylate synthase activity
H0005739cellular_componentmitochondrion
H0005829cellular_componentcytosol
H0006231biological_processdTMP biosynthetic process
H0006730biological_processone-carbon metabolic process
H0008168molecular_functionmethyltransferase activity
H0009165biological_processnucleotide biosynthetic process
H0016491molecular_functionoxidoreductase activity
H0016741molecular_functiontransferase activity, transferring one-carbon groups
H0032259biological_processmethylation
H0046654biological_processtetrahydrofolate biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE UMP A 701
ChainResidue
AARG344
AHIS551
ATYR553
ACB3702
BARG469
BARG470
ALEU486
ACYS489
AHIS490
AGLN509
AARG510
ASER511
AASP513
AASN521

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE CB3 A 702
ChainResidue
APHE374
AILE402
AASN406
AASP513
ALEU516
AGLY517
APHE520
AASN521
ATYR553
AARG603
AMET608
AALA609
AUMP701
AHOH899
AHOH986
AHOH1048

site_idAC3
Number of Residues14
DetailsBINDING SITE FOR RESIDUE FOL A 703
ChainResidue
AVAL8
AVAL9
AALA10
AASP31
APHE32
APHE35
ASER36
AMET87
APHE91
AARG97
AVAL151
ATHR172
ANDP704
AHOH962

site_idAC4
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NDP A 704
ChainResidue
AVAL9
AALA10
AILE17
AGLY18
AILE19
AGLY22
ATRP25
AGLY80
AARG81
ALYS82
ATHR83
ASER86
AVAL102
ASER103
ASER104
ASER105
AALA128
AVAL151
AGLY153
AALA154
AGLY155
ALEU156
ATYR157
AVAL182
AFOL703
AHOH828
AHOH883
AHOH920
AHOH982
AHOH990
AHOH1024

site_idAC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE UMP B 701
ChainResidue
AARG469
AARG470
BARG344
BCYS489
BHIS490
BGLN509
BARG510
BSER511
BASP513
BASN521
BHIS551
BTYR553
BCB3702
BHOH835

site_idAC6
Number of Residues18
DetailsBINDING SITE FOR RESIDUE CB3 B 702
ChainResidue
BTYR553
BGLN605
BMET606
BGLU607
BMET608
BALA609
BUMP701
BHOH853
BGLU381
BILE402
BTRP403
BLYS405
BASN406
BASP513
BLEU516
BGLY517
BPHE520
BASN521

site_idAC7
Number of Residues14
DetailsBINDING SITE FOR RESIDUE FOL B 703
ChainResidue
BVAL8
BVAL9
BALA10
BASP31
BPHE32
BPHE35
BSER36
BPHE91
BARG97
BTHR172
BNDP704
BHOH807
BHOH952
BHOH954

site_idAC8
Number of Residues21
DetailsBINDING SITE FOR RESIDUE NDP B 704
ChainResidue
BVAL9
BALA10
BILE17
BGLY18
BILE19
BGLY22
BTRP25
BGLY80
BARG81
BLYS82
BTHR83
BVAL102
BSER103
BSER104
BSER105
BALA128
BGLY153
BALA154
BFOL703
BHOH951
BHOH959

site_idAC9
Number of Residues15
DetailsBINDING SITE FOR RESIDUE UMP C 701
ChainResidue
CARG344
CLEU486
CCYS489
CHIS490
CGLN509
CARG510
CSER511
CASP513
CASN521
CHIS551
CTYR553
CCB3702
CHOH961
DARG469
DARG470

site_idBC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE CB3 C 702
ChainResidue
CPHE374
CILE402
CASN406
CASP513
CLEU516
CGLY517
CPHE520
CASN521
CTYR553
CARG603
CMET608
CALA609
CUMP701
CHOH888
CHOH913
CHOH1023

site_idBC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE FOL C 703
ChainResidue
CVAL8
CVAL9
CALA10
CASP31
CPHE32
CLYS33
CPHE35
CSER36
CMET87
CPHE91
CARG97
CVAL151
CTHR172
CNDP704
CHOH864
CHOH922

site_idBC3
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NDP C 704
ChainResidue
CVAL9
CALA10
CILE17
CGLY18
CILE19
CGLY22
CTRP25
CGLY80
CARG81
CLYS82
CTHR83
CSER86
CVAL102
CSER103
CSER104
CSER105
CALA128
CVAL151
CGLY153
CALA154
CGLY155
CTYR157
CVAL182
CFOL703
CHOH853
CHOH886
CHOH895
CHOH953
CHOH959
CHOH1003

site_idBC4
Number of Residues15
DetailsBINDING SITE FOR RESIDUE UMP D 701
ChainResidue
CARG469
CARG470
DARG344
DCYS489
DHIS490
DGLN509
DARG510
DSER511
DASP513
DGLY517
DASN521
DHIS551
DTYR553
DCB3702
DHOH804

site_idBC5
Number of Residues18
DetailsBINDING SITE FOR RESIDUE CB3 D 702
ChainResidue
DGLU381
DILE402
DTRP403
DLYS405
DASN406
DASP513
DLEU516
DGLY517
DPHE520
DASN521
DTYR553
DGLN605
DMET606
DGLU607
DMET608
DALA609
DUMP701
DHOH853

site_idBC6
Number of Residues11
DetailsBINDING SITE FOR RESIDUE FOL D 703
ChainResidue
DVAL8
DVAL9
DASP31
DPHE32
DPHE35
DSER36
DPHE91
DARG97
DTHR172
DNDP704
DHOH868

site_idBC7
Number of Residues24
DetailsBINDING SITE FOR RESIDUE NDP D 704
ChainResidue
DVAL9
DALA10
DILE17
DGLY18
DILE19
DGLY22
DLEU23
DGLY80
DARG81
DLYS82
DTHR83
DSER86
DVAL102
DSER103
DSER104
DSER105
DALA128
DGLY153
DALA154
DTYR157
DFOL703
DHOH919
DHOH936
DHOH941

site_idBC8
Number of Residues15
DetailsBINDING SITE FOR RESIDUE UMP E 701
ChainResidue
EARG344
ELEU486
ECYS489
EHIS490
EGLN509
EARG510
ESER511
EASP513
EASN521
EHIS551
ETYR553
ECB3702
EHOH851
FARG469
FARG470

site_idBC9
Number of Residues14
DetailsBINDING SITE FOR RESIDUE CB3 E 702
ChainResidue
EILE402
ETRP403
EASN406
EASP513
ELEU516
EGLY517
EPHE520
EASN521
ETYR553
EARG603
EMET608
EALA609
EUMP701
EHOH930

site_idCC1
Number of Residues17
DetailsBINDING SITE FOR RESIDUE FOL E 703
ChainResidue
EVAL8
EVAL9
EALA10
EASP31
EPHE32
ELYS33
EPHE35
ESER36
EMET87
EPHE91
EARG97
EVAL151
ETHR172
ENDP704
EHOH884
EHOH895
EHOH927

site_idCC2
Number of Residues25
DetailsBINDING SITE FOR RESIDUE NDP E 704
ChainResidue
EVAL9
EALA10
EILE17
EGLY18
EILE19
EGLY22
ETRP25
EGLY80
EARG81
ELYS82
ETHR83
ESER86
EVAL102
ESER103
ESER104
ESER105
EALA128
EVAL151
EGLY153
EALA154
EGLY155
ETYR157
EFOL703
EHOH900
EHOH913

site_idCC3
Number of Residues14
DetailsBINDING SITE FOR RESIDUE UMP F 701
ChainResidue
EARG469
EARG470
FARG344
FCYS489
FHIS490
FGLN509
FARG510
FSER511
FASP513
FASN521
FHIS551
FTYR553
FCB3702
FHOH851

site_idCC4
Number of Residues17
DetailsBINDING SITE FOR RESIDUE CB3 F 702
ChainResidue
FGLU381
FILE402
FTRP403
FLYS405
FASN406
FASP513
FLEU516
FGLY517
FPHE520
FASN521
FTYR553
FGLN605
FMET606
FGLU607
FMET608
FALA609
FUMP701

site_idCC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE FOL F 703
ChainResidue
FVAL8
FVAL9
FALA10
FASP31
FPHE32
FPHE35
FSER36
FPHE91
FARG97
FTHR172
FNDP704
FHOH867
FHOH1031

site_idCC6
Number of Residues20
DetailsBINDING SITE FOR RESIDUE NDP F 704
ChainResidue
FVAL9
FALA10
FILE17
FGLY18
FILE19
FASN21
FGLY22
FGLY80
FARG81
FLYS82
FTHR83
FSER86
FVAL102
FSER103
FSER104
FSER105
FGLY153
FALA154
FFOL703
FHOH844

site_idCC7
Number of Residues15
DetailsBINDING SITE FOR RESIDUE UMP G 701
ChainResidue
GARG344
GLEU486
GCYS489
GHIS490
GGLN509
GARG510
GSER511
GASP513
GASN521
GHIS551
GTYR553
GCB3702
GHOH817
HARG469
HARG470

site_idCC8
Number of Residues14
DetailsBINDING SITE FOR RESIDUE CB3 G 702
ChainResidue
GPHE374
GILE402
GTRP403
GASN406
GASP513
GLEU516
GGLY517
GPHE520
GASN521
GTYR553
GARG603
GMET608
GALA609
GUMP701

site_idCC9
Number of Residues18
DetailsBINDING SITE FOR RESIDUE FOL G 703
ChainResidue
GVAL8
GVAL9
GALA10
GASP31
GPHE32
GLYS33
GPHE35
GSER36
GMET87
GPHE91
GARG97
GVAL151
GTHR172
GNDP704
GHOH867
GHOH953
GHOH967
GHOH1008

site_idDC1
Number of Residues28
DetailsBINDING SITE FOR RESIDUE NDP G 704
ChainResidue
GVAL9
GALA10
GILE17
GGLY18
GILE19
GGLY22
GTRP25
GGLY80
GARG81
GLYS82
GTHR83
GSER86
GVAL102
GSER103
GSER104
GSER105
GALA128
GVAL151
GGLY153
GALA154
GGLY155
GTYR157
GVAL182
GFOL703
GHOH831
GHOH898
GHOH931
GHOH932

site_idDC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE UMP H 701
ChainResidue
GARG469
GARG470
HARG344
HCYS489
HHIS490
HGLN509
HARG510
HSER511
HASP513
HASN521
HHIS551
HTYR553
HCB3702
HHOH829

site_idDC3
Number of Residues17
DetailsBINDING SITE FOR RESIDUE CB3 H 702
ChainResidue
HGLU381
HILE402
HTRP403
HLYS405
HASN406
HASP513
HLEU516
HGLY517
HPHE520
HASN521
HTYR553
HGLN605
HGLU607
HMET608
HALA609
HUMP701
HHOH920

site_idDC4
Number of Residues13
DetailsBINDING SITE FOR RESIDUE FOL H 703
ChainResidue
HVAL9
HALA10
HASP31
HPHE32
HPHE35
HSER36
HPHE91
HARG97
HTHR172
HNDP704
HHOH846
HHOH1008
HHOH1013

site_idDC5
Number of Residues19
DetailsBINDING SITE FOR RESIDUE NDP H 704
ChainResidue
HALA10
HILE17
HGLY18
HILE19
HGLY22
HTRP25
HGLY80
HARG81
HLYS82
HTHR83
HVAL102
HSER103
HSER104
HSER105
HALA128
HGLY153
HALA154
HFOL703
HHOH814

Functional Information from PROSITE/UniProt
site_idPS00075
Number of Residues24
DetailsDHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGinngLPWphlttDfkhFsrvT
ChainResidueDetails
AGLY16-THR39

site_idPS00091
Number of Residues29
DetailsTHYMIDYLATE_SYNTHASE Thymidylate synthase active site. RrmLmtaWNpaaldema.....LpPCHllcQFyV
ChainResidueDetails
AARG469-VAL497

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsACT_SITE: ACT_SITE => ECO:0000250
ChainResidueDetails
AALA533
BALA533
CALA533
DALA533
EALA533
FALA533
GALA533
HALA533

site_idSWS_FT_FI2
Number of Residues112
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
AVAL8
AGLY388
HALA10
HGLY16
HASP31
HLEU106
HCYS127
HGLU177
HVAL182
HSER216
HGLY388
HHIS534
AHIS534
HTYR553
HARG565
HVAL595
ATYR553
AARG565
AVAL595
BVAL8
BALA10
BGLY16
BASP31
BLEU106
AALA10
BCYS127
BGLU177
BVAL182
BSER216
BGLY388
BHIS534
BTYR553
BARG565
BVAL595
CVAL8
AGLY16
CALA10
CGLY16
CASP31
CLEU106
CCYS127
CGLU177
CVAL182
CSER216
CGLY388
CHIS534
AASP31
CTYR553
CARG565
CVAL595
DVAL8
DALA10
DGLY16
DASP31
DLEU106
DCYS127
DGLU177
ALEU106
DVAL182
DSER216
DGLY388
DHIS534
DTYR553
DARG565
DVAL595
EVAL8
EALA10
EGLY16
ACYS127
EASP31
ELEU106
ECYS127
EGLU177
EVAL182
ESER216
EGLY388
EHIS534
ETYR553
EARG565
AGLU177
EVAL595
FVAL8
FALA10
FGLY16
FASP31
FLEU106
FCYS127
FGLU177
FVAL182
FSER216
AVAL182
FGLY388
FHIS534
FTYR553
FARG565
FVAL595
GVAL8
GALA10
GGLY16
GASP31
GLEU106
ASER216
GCYS127
GGLU177
GVAL182
GSER216
GGLY388
GHIS534
GTYR553
GARG565
GVAL595
HVAL8

219515

PDB entries from 2024-05-08

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